CID 12003148

2-(ethylamino)propanoic acid hydrochloride

Structural Information

Molecular Formula
C5H11NO2
SMILES
CCNC(C)C(=O)O
InChI
InChI=1S/C5H11NO2/c1-3-6-4(2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)
InChIKey
DATPFTPVGIHCCM-UHFFFAOYSA-N
Compound name
2-(ethylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

117.07898 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 124.2
[M+Na]+ 140.06820 132.5
[M+NH4]+ 135.11280 131.2
[M+K]+ 156.04214 129.1
[M-H]- 116.07170 122.8
[M+Na-2H]- 138.05365 126.8
[M]+ 117.07843 124.5
[M]- 117.07953 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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